U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoSbS by Materials Project
Abstract
CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form distorted CoSb3S3 octahedra that share corners with ten equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and an edgeedge with one CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. There are a spread of Co–Sb bond distances ranging from 2.53–2.57 Å. There are a spread of Co–S bond distances ranging from 2.28–2.31 Å. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form distorted SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SbCo3S tetrahedra, and corners with nine equivalent SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 73–82°. The Sb–S bond length is 2.55 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form distorted SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with four equivalent SCo3Sb tetrahedra, corners with nine equivalent SbCo3S tetrahedra, and an edgeedge with one SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 77–79°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5881
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CoSbS; Co-S-Sb
- OSTI Identifier:
- 1277159
- DOI:
- https://doi.org/10.17188/1277159
Citation Formats
The Materials Project. Materials Data on CoSbS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277159.
The Materials Project. Materials Data on CoSbS by Materials Project. United States. doi:https://doi.org/10.17188/1277159
The Materials Project. 2020.
"Materials Data on CoSbS by Materials Project". United States. doi:https://doi.org/10.17188/1277159. https://www.osti.gov/servlets/purl/1277159. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1277159,
title = {Materials Data on CoSbS by Materials Project},
author = {The Materials Project},
abstractNote = {CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form distorted CoSb3S3 octahedra that share corners with ten equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and an edgeedge with one CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. There are a spread of Co–Sb bond distances ranging from 2.53–2.57 Å. There are a spread of Co–S bond distances ranging from 2.28–2.31 Å. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form distorted SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SbCo3S tetrahedra, and corners with nine equivalent SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 73–82°. The Sb–S bond length is 2.55 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form distorted SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with four equivalent SCo3Sb tetrahedra, corners with nine equivalent SbCo3S tetrahedra, and an edgeedge with one SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 77–79°.},
doi = {10.17188/1277159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}